4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine

C7H5F4NO — CID 130099672

IUPAC4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine
SMILESCOc1c(C(F)F)cc(F)nc1F
InChIInChI=1S/C7H5F4NO/c1-13-5-3(6(9)10)2-4(8)12-7(5)11/h2,6H,1H3
InChIKeyQCFRRMZQAXVHIK-UHFFFAOYSA-N
MW195.12 g/mol
LogP2.31
Rot. Bonds2

About 4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine

4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine (PubChem CID 130099672) has the molecular formula C7H5F4NO and a molecular weight of 195.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine
PubChem CID130099672
Molecular FormulaC7H5F4NO
Molecular Weight195.12 g/mol
Exact Mass195.03
IUPAC Name4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine
SMILESCOc1c(C(F)F)cc(F)nc1F
InChIInChI=1S/C7H5F4NO/c1-13-5-3(6(9)10)2-4(8)12-7(5)11/h2,6H,1H3
InChIKeyQCFRRMZQAXVHIK-UHFFFAOYSA-N
XLogP2.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.12
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-2-fluoro-3-methoxy-6-nitropyridine
CID 118813047
4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine
CID 118801347
6-chloro-4-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)pyridine
CID 130073838
4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid
CID 118806000
4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile
CID 130099594
4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
CID 118823728
6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride
CID 133105714
[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanol
CID 130087924
[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130073705
3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine
CID 133105630
3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine
CID 130109360
5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine
CID 130080552

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine?
The IUPAC name of 4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine (CID 130099672) is 4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine.
What is the SMILES notation for 4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine?
The canonical SMILES for 4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine is COc1c(C(F)F)cc(F)nc1F.
What is the InChIKey of 4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine?
The InChIKey is QCFRRMZQAXVHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO/c1-13-5-3(6(9)10)2-4(8)12-7(5)11/h2,6H,1H3.
What are the key properties of 4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine?
4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine has a molecular weight of 195.12 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine is sourced from PubChem (CID 130099672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).